Compound Detail
CHEMBL606422
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CCC(NC(=O)c1ccc2c(c1)c(SC)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL606422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDIKORAYWDUOQC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
7.97
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human PPARgamma expressed in african green monkey CV1 cells ... | 20079636 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 12.0 | nM | 7.92 | Displacement of radiolabeled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-t... | 20079636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20079636 | 10.1016/j.bmcl.2009.12.107 | Peroxisome proliferator-activated receptor gamma | 3 |
| 20079636 | 10.1016/j.bmcl.2009.12.107 | Peroxisome proliferator-activated receptor delta | 2 |
| 20079636 | 10.1016/j.bmcl.2009.12.107 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine